4-ethenyl-2,6-bis(trifluoromethyl)phenol

C10H6F6O — CID 148734755

IUPAC4-ethenyl-2,6-bis(trifluoromethyl)phenol
SMILESC=Cc1cc(C(F)(F)F)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F6O/c1-2-5-3-6(9(11,12)13)8(17)7(4-5)10(14,15)16/h2-4,17H,1H2
InChIKeyOBRGUMMAGWFIAU-UHFFFAOYSA-N
MW256.15 g/mol
LogP4.07
Rot. Bonds1

About 4-ethenyl-2,6-bis(trifluoromethyl)phenol

4-ethenyl-2,6-bis(trifluoromethyl)phenol (PubChem CID 148734755) has the molecular formula C10H6F6O and a molecular weight of 256.15 g/mol. Its IUPAC name is 4-ethenyl-2,6-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-ethenyl-2,6-bis(trifluoromethyl)phenol
PubChem CID148734755
Molecular FormulaC10H6F6O
Molecular Weight256.15 g/mol
Exact Mass256.03
IUPAC Name4-ethenyl-2,6-bis(trifluoromethyl)phenol
SMILESC=Cc1cc(C(F)(F)F)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F6O/c1-2-5-3-6(9(11,12)13)8(17)7(4-5)10(14,15)16/h2-4,17H,1H2
InChIKeyOBRGUMMAGWFIAU-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,6-bis(trifluoromethyl)phenol?
The IUPAC name of 4-ethenyl-2,6-bis(trifluoromethyl)phenol (CID 148734755) is 4-ethenyl-2,6-bis(trifluoromethyl)phenol.
What is the SMILES notation for 4-ethenyl-2,6-bis(trifluoromethyl)phenol?
The canonical SMILES for 4-ethenyl-2,6-bis(trifluoromethyl)phenol is C=Cc1cc(C(F)(F)F)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-ethenyl-2,6-bis(trifluoromethyl)phenol?
The InChIKey is OBRGUMMAGWFIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O/c1-2-5-3-6(9(11,12)13)8(17)7(4-5)10(14,15)16/h2-4,17H,1H2.
What are the key properties of 4-ethenyl-2,6-bis(trifluoromethyl)phenol?
4-ethenyl-2,6-bis(trifluoromethyl)phenol has a molecular weight of 256.15 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,6-bis(trifluoromethyl)phenol is sourced from PubChem (CID 148734755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).